4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile

C19H21N3O — CID 166487792

IUPAC4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile
SMILESCC1CC(C#N)N(C(=O)CCNc2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O/c1-14-11-16(12-20)22(13-14)19(23)9-10-21-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,14,16,21H,9-11,13H2,1H3
InChIKeyAVMCNYNDBXFIOO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.40
Rot. Bonds4

About 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile

4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile (PubChem CID 166487792) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile
PubChem CID166487792
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile
SMILESCC1CC(C#N)N(C(=O)CCNc2cccc3ccccc23)C1
InChIInChI=1S/C19H21N3O/c1-14-11-16(12-20)22(13-14)19(23)9-10-21-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,14,16,21H,9-11,13H2,1H3
InChIKeyAVMCNYNDBXFIOO-UHFFFAOYSA-N
XLogP3.40
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile (CID 166487792) is 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile is CC1CC(C#N)N(C(=O)CCNc2cccc3ccccc23)C1.
What is the InChIKey of 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is AVMCNYNDBXFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-11-16(12-20)22(13-14)19(23)9-10-21-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,14,16,21H,9-11,13H2,1H3.
What are the key properties of 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile?
4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(naphthalen-1-ylamino)propanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 166487792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).